methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate

C16H11NO5S — CID 7166895

IUPACmethyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11NO5S/c1-21-16(20)10-6-7-23-15(10)17-14(19)11-8-22-12-5-3-2-4-9(12)13(11)18/h2-8H,1H3,(H,17,19)
InChIKeyBUJQKXUSRTWQCC-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.89
Rot. Bonds3

About methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate

methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 7166895) has the molecular formula C16H11NO5S and a molecular weight of 329.33 g/mol. Its IUPAC name is methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID7166895
Molecular FormulaC16H11NO5S
Molecular Weight329.33 g/mol
Exact Mass329.04
IUPAC Namemethyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C16H11NO5S/c1-21-16(20)10-6-7-23-15(10)17-14(19)11-8-22-12-5-3-2-4-9(12)13(11)18/h2-8H,1H3,(H,17,19)
InChIKeyBUJQKXUSRTWQCC-UHFFFAOYSA-N
XLogP2.89
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167067
methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
CID 2406660
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
CID 2332762
4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
CID 155566561
N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4216025
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202907
N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide
CID 9208576

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate (CID 7166895) is methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1coc2ccccc2c1=O.
What is the InChIKey of methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is BUJQKXUSRTWQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5S/c1-21-16(20)10-6-7-23-15(10)17-14(19)11-8-22-12-5-3-2-4-9(12)13(11)18/h2-8H,1H3,(H,17,19).
What are the key properties of methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate?
methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 329.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 7166895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).